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(2R,4R)-8,10-bis(dimethylamino)-2,4-bis(trifluoromethyl)-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-diol

(2R,4R)-8,10-bis(dimethylamino)-2,4-bis(trifluoromethyl)-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-diol

Formula: C18H18F6N2O3

SMILES: CN(C)C1=CC=C2C3=C(C=CC(N(C)C)=C13)[C@@](O)(O[C@@]2(O)C(F)(F)F)C(F)(F)F

IUPAC: (2R,4R)-8,10-bis(dimethylamino)-2,4-bis(trifluoromethyl)-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-diol

InChI: InChI=1S/C18H18F6N2O3/c1-25(2)11-7-5-9-13-10(6-8-12(14(11)13)26(3)4)16(28,18(22,23)24)29-15(9,27)17(19,20)21/h5-8,27-28H,1-4H3/t15-,16-/m1/s1

Composition: C (50.95%), H (4.28%), F (26.86%), N (6.60%), O (11.31%)

Molar Mass: 424.343

Atom Count: 47

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 424.122161426
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SXCCOVAVNCTXKR-HZPDHXFCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.66
Topological Polar Surface Area 56.17
Polarizability 34.8
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H18F6N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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